AbstractTumors develop numerous mechanisms through which they evade NK cell attack. Several molecules secreted by YAC-1 cells and P815 cells were evaluated for their interaction with NK cell receptors. The affinity characterization of NK cell receptor with t.....
AbstractCancer is a major health concern in Kenya, even amongst the non-smoking group, yet potential causes of the many cancer cases in the region are unknown. Polynuclear Aromatic Hydrocarbons (PAHs) are known carcinogens. Emission and possible accumulation.....
AbstractThe 2-oxo-1, 2-dihydroquinoline Chemotype is well represented among screening compound collection. However, the chemical space of 2-oxo-1, 2-dihydroquinoline has not been thoroughly investigated. In this work we report the synthesis of a small but no.....
AbstractDocking tools are computer-aided simulation process by which appropriate ligand molecules (drugs) are screened for receptor molecules such as protein/enzyme. Molecular docking has become a widely used approach to guide the discovery of drugs in Pharm.....
AbstractProteins undergo changes in their form (conformational changes) upon interaction with compounds/substrates. Molecular docking is an important tool used in the study of correlations between structure and function, aiding the understanding of several b.....
AbstractNosocomial infections are assuming epidemic proportions especially in rural communities in poor developing economies where usual antibiotics are not available or affordable or resistance to treatment antibiotics are on the increase. Alternative preve.....
AbstractThe field of computer aided drug design and discovery (CADDD) is a rapidly growing area that has seen many successes in the last few years. Many giant pharmaceutical companies, in addition to academia, adopt CADDD ford rug lead discovery. The explosi.....
AbstractIntroduction: Patients with iodine-refractory, locally advanced or metastatic differentiated thyroid cancer usually have a poor prognosis. As new therapeutic options, tyrosine kinase inhibitors may slow down progression and stabilize the disease. The.....
AbstractPeptides impact biology; establishing how these ligands interact with their receptors may provide an approach to influence health. In identifying these interactions it is important to consider peptides often exist as a family of structurally-related,.....
AbstractFour ?-glucan trisaccharides with different aglycones were synthesizeendo-?-1,3-glucanase substrates from ?-1,3-trisaccharide, where glycosylation with methanol or p-methoxyphenol yielded a glycoside lacking a linker. The introduction of an aminopent.....
AbstractDocking is a computational technique that helps in understanding of ligand macromolecule interactions by placing the ligand in the binding site of macromolecular target. Understanding the ruling principles whereby protein receptors recognize, interac.....
AbstractMolecular docking is a kind of computational modeling of the complexes, which is formed from the interaction of two or more molecules. It predicts the three-dimensional structure of adducts, based upon binding properties of participating ligand and t.....
AbstractScorpion venom is rich in proteinaceous toxins that affect
excitability by impeding ion channel gating. Channel blockers
interact with the external region of the pore and obstruct ion
conductance, whereas channel modifiers interact with the voltag.....
AbstractVirtual screening of entry inhibitor scaffolds mimicking anti-HIV-1 broadly neutralizing antibody 10e8 was carried out and evaluation of their potential inhibitory activity was performed using high-throughput docking and molecular dynamics simulation.....
AbstractA series of nine number of substituted (E)-1-benzylidene-2-(4-methylphenyl) hydrazines has been synthesized by condensation of 4-methylphenylhydrazine with substituted benzaldehydes using Fly-ash–H2SO4 catalyst under solvent free condition. This me.....
AbstractAn important improvement for selection of docking programs has been found. Correlating the attributes of ligand binding pocket shape with an appropriate program in the early stages of automated docking has been proven to increase the success of the p.....
AbstractProtein-protein interactions, which result in either transient or long-lived complexes, play a central role in the processes happening in the cells. Perturbations in those interaction networks can lead to disease. Understanding the mechanisms of prot.....
Abstract5-HT6 antagonism has been proposed as a promising approach for treating cognitive (memory) impairment associated with neuropsychiatric disorders. Using PHASE programme (Schrodinger-USA) a statistically valid, with good predictability pharmacophore mo.....
AbstractMolecular docking study was performed in order to identify Natural Plant Products that shows higher binding energy with Diphtheria toxin of the pathogen Corynebacterium diphtheriae, responsible for Diphtheria, a respiratory tract infection. Thirty he.....